N,N,N',N'-Tetramethyl-2-butene-1,4-diamine

Inquiry

Molecular Formula:

C8H18N2

Molecular Weight:

142.2420

CAS Number:

4559-79-9

Catalog Number:

4559-79-9

Product Information

Molecular Formula:

C8H18N2

Molecular Weight:

142.2420

Description

Applications: N,N,N',N'-Tetramethyl-2-butene-1,4-diamine is used in the synthesis of quaternary bisammonium surfactants with antimicrobial activity against Pseudomonas aeruginosa.Dangerous Goods Info: Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package.

Synonyms

(E)-N,N,N',N'-TETRAMETHYL-BUT-2-ENE-1,4-DIAMINE; N,N,N',N'-TETRAMETHYL-1,4-DIAMINO-2-BUTENE; N,N,N',N'-TETRAMETHYL-2-BUTENE-1,4-DIAMINE; TRANS-N,N,N',N'-TETRAMETHYL-2-BUTENE-1,4-DIAMINE; 2-Butene-1,4-diamine, N,N,N',N'-tetramethyl-; N,N,N',N'-tetramethylbut-2

IUPAC Name

(E)-N,N,N',N'-tetramethylbut-2-ene-1,4-diamine

Canonical SMILES

CN(C)CC=CCN(C)C

InChI

InChI=1S/C8H18N2/c1-9(2)7-5-6-8-10(3)4/h5-6H,7-8H2,1-4H3/b6-5+

InChI Key

KUEDAAUECWBMLW-AATRIKPKSA-N

Boiling Point

172-173 °C723 mm Hg(lit.)

Flash Point

123 °F

Purity

0.95

Density

0.843 g/cm3

Refractive Index

n20/D 1.4416(lit.)

Safety Information

Hazards

H226:
Flammable liquid and vapour.
H314:
Causes severe skin burns and eye damage.
H318:
Causes serious eye damage.
H402:
Harmful to aquatic life.

Precautionary Statement

P210:
Keep away from heat, sparks, open flames, hot surfaces. No smoking.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P303:
IF ON SKIN (or hair):
P305:
IF IN EYES:
P338:
Remove contact lenses if present and easy to do. Continue rinsing.
P351:
Rinse cautiously with water for several minutes.
P353:
Rinse skin with water/shower.
P361:
Take off immediately all contaminated clothing. [As modified by IV ATP].

Computed Properties

XLogP3

0.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

142.146998583 g/mol

Monoisotopic Mass

142.146998583 g/mol

Topological Polar Surface Area

6.5Å²

Heavy Atom Count

Formal Charge

Complexity

83.4

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
KR-20210003702-A	Polishing slurry composition and method for preparing the same	2020-12-23
US-2022062135-A1	Cosmetic compositions, kits thereof, and methods for making and using the same	2020-08-31
WO-2022046602-A1	Cosmetic compositions, kits thereof, and methods for making and using the same	2020-08-31
WO-2022005839-A1	Natural non-sulfate rinse-off cleansing compositions with high oil loading, and methods of use	2020-06-30
FR-3109883-A1	HAIR TREATMENT COMPOSITIONS	2020-05-07
FR-3108845-A1	Systems, compositions, methods for treating keratin substrates	2020-04-06
FR-3108509-A1	Washing composition for the hair	2020-03-31
US-2021299006-A1	Hair treatment compositions	2020-03-31
KR-20210119180-A	Cmp slurry composition for silicon wafer	2020-03-24
US-2021267868-A1	Systems, compositions, and methods for treating keratinous substrates	2020-02-29

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)